2,5-Dibromothiophene
Properties
- Molecular formula
- C4H2Br2S
- Molar mass
- 241.93 g/mol
- Exact mass
- 239.8244 Da
- Density
- 2.148 g/mL (at 21 °C)
- Melting point
- −6 °C
- Boiling point
- 210.3 °C
- logP
- 3.27Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed12.2% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction12.2% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation95.9% of notifiers
- H341 Suspected of causing genetic defects12.2% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3141-27-3SMILES
Brc1ccc(Br)s1InChIKey
KBVDUUXRXJTAJC-UHFFFAOYSA-NInChI
InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Thiophene, 2,5-dibromo-
- NSC 4488
Work with 2,5-Dibromothiophene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5,5'-Dibromo-2,2'-bithiophene4805-22-569 % similar
5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-065 % similar
2-Bromo-5-chlorothiophene2873-18-958 % similar
2-Bromo-5-methylthiophene765-58-258 % similar
5-Bromo-2-thiopheneboronic Acid (contains varying amounts of Anhydride)162607-17-250 % similar
5-Bromothiophene-2-carbonitrile2160-62-550 % similar
2-Bromo-5-phenylthiophene29488-24-250 % similar
5-Bromo-2-thiophenecarboxaldehyde4701-17-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.